SCHEMBL24569765

SCHEMBL24569765

COc1ccc(Cn2nc(Br)nc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
CMA1 P23946 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
MET P08581 1/20 0.42
NPBWR1 P48145 2/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DCTPP1 Q9H773 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6637022 0.84 KDM4E (0.45) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL27090145 0.81 NPBWR1 (0.44) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL30525417 0.79 ALDH1A1 (0.41) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL27090143 0.79 CNR1 (0.43) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL16014865 0.79 NR1H3 (0.44) KDM4EALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16014514 0.79 MET (0.44) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL15538235 0.78 CMA1 (0.43) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL24569972 0.77 PDE8B (0.42) ALDH1A1MAPTALOX15CMA1NPBWR1
SCHEMBL24569408 0.77 CNR1 (0.44) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL15556088 0.77 MAPT (0.40) KDM4EALDH1A1MAPTALOX15CMA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116710450-A Pyrrolo [3,2-b ] pyridine derivatives for the treatment of cGAS-related disorders 诺华股份有限公司 2023-09-05 CN disclosed
CN-116635382-A Indole derivatives useful for treating cGAS-related disorders 诺华股份有限公司 2023-08-22 CN disclosed
WO-2022137082-A1 PYRROLO[3,2-B]PYRIDINE DERIVATIVES USEFUL IN TREATING CONDITIONS ASSOCIATED WITH CGAS NOVARTIS AG (CH) 2022-06-30 WO disclosed
WO-2022137085-A1 INDOLE DERIVATIVES USEFUL IN TREATING CONDITIONS ASSOCIATED WITH CGAS NOVARTIS AG (CH) 2022-06-30 WO disclosed